5-(2-chloroacetyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one


Chemical Name: 5-(2-chloroacetyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CAS Number: 73416-91-8
Product Number: AG005O5R(AGN-PC-0JPKRD)
Synonyms:
MDL No: MFCD01099165
Molecular Formula: C12H13ClN2O2
Molecular Weight: 252.6968

Identification/Properties


Computed Properties
Molecular Weight:
252.698g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
252.067g/mol
Monoisotopic Mass:
252.067g/mol
Topological Polar Surface Area:
49.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
322
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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